1-(2-hydroxyethyl)-5-[[[methylsulfanyl-[(triphenylmethyl)amino]methyl]amino]methyl]imidazole-4-carboxamide

Systemtic Name: 1-(2-hydroxyethyl)-5-[[[methylsulfanyl-[(triphenylmethyl)amino]methyl]amino]methyl]imidazole-4-carboxamide Openeye Name: 1-(2-hydroxyethyl)-5-[[[methylsulfanyl-(tritylamino)methyl]amino]methyl]imidazole-4-carboxamide CAS Name: 1-(2-hydroxyethyl)-5-[[[(methylthio)-[(triphenylmethyl)amino]methyl]amino]methyl]-4-imidazolecarboxamide IUPAC Name: 1-(2-hydroxyethyl)-5-[[[methylsulfanyl-(tritylamino)methyl]amino]methyl]imidazole-4-carboxamide Traditional Name: 1-(2-hydroxyethyl)-5-[[[(methylthio)-(tritylamino)methyl]amino]methyl]imidazole-4-carboxamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CSC(NCC1=C(N=CN1CCO)C(=O)N)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC(NCC1=C(N=CN1CCO)C(=O)N)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O2S/c1-36-27(30-19-24-25(26(29)35)31-20-33(24)17-18-34)32-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,27,30,32,34H,17-19H2,1H3,(H2,29,35)